dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate

C18H19NO4S — CID 134944273

IUPACdimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2ccccc2N(C)C1c1cccs1
InChIInChI=1S/C18H19NO4S/c1-19-13-8-5-4-7-12(13)11-18(16(20)22-2,17(21)23-3)15(19)14-9-6-10-24-14/h4-10,15H,11H2,1-3H3
InChIKeyDIPXQLLNJVHOQJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.81
Rot. Bonds3

About dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate

dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate (PubChem CID 134944273) has the molecular formula C18H19NO4S and a molecular weight of 345.42 g/mol. Its IUPAC name is dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate
PubChem CID134944273
Molecular FormulaC18H19NO4S
Molecular Weight345.42 g/mol
Exact Mass345.10
IUPAC Namedimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2ccccc2N(C)C1c1cccs1
InChIInChI=1S/C18H19NO4S/c1-19-13-8-5-4-7-12(13)11-18(16(20)22-2,17(21)23-3)15(19)14-9-6-10-24-14/h4-10,15H,11H2,1-3H3
InChIKeyDIPXQLLNJVHOQJ-UHFFFAOYSA-N
XLogP2.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-(4-fluorophenyl)-1-methyl-2,4-dihydroquinoline-3,3-dicarboxylate
CID 51051192
1,3-dimethyl-2-thiophen-2-yl-2H-benzimidazole
CID 677364
dimethyl (2R,5R)-1-benzyl-2-phenyl-5-thiophen-2-ylpyrrolidine-3,3-dicarboxylate
CID 11553860
dimethyl (2S,5R)-5-phenyl-2-thiophen-2-yloxolane-3,3-dicarboxylate
CID 11537523
(2S,4S,5R)-1-(2,2-dimethylpropanoyl)-4-methoxycarbonyl-4-methyl-5-thiophen-2-ylpyrrolidine-2-carboxylic acid
CID 132530285
methyl (2S,4R,5R)-5-benzoyl-2-hydroxy-1-phenyl-4-thiophen-2-ylpyrrolidine-2-carboxylate
CID 57332161
dimethyl (3S,6R)-3-(furan-2-yl)-2-phenyl-6-thiophen-2-yloxazinane-4,4-dicarboxylate
CID 10455212
methyl (2S,4R,5R)-4-(hydroxymethyl)-1,2-dimethyl-5-thiophen-2-ylpyrrolidine-2-carboxylate
CID 51670917
trimethyl (2S,3R,4S)-4-phenacyl-2-thiophen-2-ylcyclopentane-1,1,3-tricarboxylate
CID 132539453
dimethyl 2-benzyl-6-thiophen-2-yloxazinane-4,4-dicarboxylate
CID 11188022
methyl 1-methyl-4-(thiophen-2-ylmethyl)piperidine-4-carboxylate
CID 16639184
CID 139231133
CID 139231133

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate?
The IUPAC name of dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate (CID 134944273) is dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate?
The canonical SMILES for dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2ccccc2N(C)C1c1cccs1.
What is the InChIKey of dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate?
The InChIKey is DIPXQLLNJVHOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4S/c1-19-13-8-5-4-7-12(13)11-18(16(20)22-2,17(21)23-3)15(19)14-9-6-10-24-14/h4-10,15H,11H2,1-3H3.
What are the key properties of dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate?
dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate has a molecular weight of 345.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-methyl-2-thiophen-2-yl-2,4-dihydroquinoline-3,3-dicarboxylate is sourced from PubChem (CID 134944273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).